2-azanyl-6-[4-(2-methylpropyl)phenyl]-4-(4-octoxyphenyl)pyridine-3-carbonitrile

Systemtic Name: 2-azanyl-6-[4-(2-methylpropyl)phenyl]-4-(4-octoxyphenyl)pyridine-3-carbonitrile Openeye Name: 2-amino-6-(4-isobutylphenyl)-4-(4-octoxyphenyl)pyridine-3-carbonitrile CAS Name: 2-amino-6-[4-(2-methylpropyl)phenyl]-4-(4-octoxyphenyl)-3-pyridinecarbonitrile IUPAC Name: 2-amino-6-[4-(2-methylpropyl)phenyl]-4-(4-octoxyphenyl)pyridine-3-carbonitrile Traditional Name: 2-amino-6-(4-isobutylphenyl)-4-(4-octoxyphenyl)nicotinonitrile Formula: C30H37N3O MolecularWeight: 455.63428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N)C3=CC=C(C=C3)CC(C)C

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N)C3=CC=C(C=C3)CC(C)C

InChI

InChI=1S/C30H37N3O/c1-4-5-6-7-8-9-18-34-26-16-14-24(15-17-26)27-20-29(33-30(32)28(27)21-31)25-12-10-23(11-13-25)19-22(2)3/h10-17,20,22H,4-9,18-19H2,1-3H3,(H2,32,33)